2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

C20H29FN4O3S — CID 3942291

IUPAC2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H29FN4O3S/c1-6-7-12-25(29(27,28)16-10-8-15(21)9-11-16)14-19(26)22-18-13-17(20(2,3)4)23-24(18)5/h8-11,13H,6-7,12,14H2,1-5H3,(H,22,26)
InChIKeyRSYNZDIDYHAVFG-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.29
Rot. Bonds8

About 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (PubChem CID 3942291) has the molecular formula C20H29FN4O3S and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
PubChem CID3942291
Molecular FormulaC20H29FN4O3S
Molecular Weight424.54 g/mol
Exact Mass424.19
IUPAC Name2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H29FN4O3S/c1-6-7-12-25(29(27,28)16-10-8-15(21)9-11-16)14-19(26)22-18-13-17(20(2,3)4)23-24(18)5/h8-11,13H,6-7,12,14H2,1-5H3,(H,22,26)
InChIKeyRSYNZDIDYHAVFG-UHFFFAOYSA-N
XLogP3.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740710
2-[benzenesulfonyl(butyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42734159
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
CID 42740730
2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740478
N-butyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 42733222
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloroacetamide
CID 42740466
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]heptanamide
CID 42740507
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 5179961
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 1067288
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42740482
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[butyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 42740512
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-chloro-2-phenylacetamide
CID 4556483

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (CID 3942291) is 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The InChIKey is RSYNZDIDYHAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O3S/c1-6-7-12-25(29(27,28)16-10-8-15(21)9-11-16)14-19(26)22-18-13-17(20(2,3)4)23-24(18)5/h8-11,13H,6-7,12,14H2,1-5H3,(H,22,26).
What are the key properties of 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide has a molecular weight of 424.54 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 3942291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).